6MOD

Co-Crystal structure of P. aeruginosa LpxC-50432 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	36.079, 66.911, 63.462
Unit cell angles	90.00, 91.08, 90.00

Refinement procedure

Resolution	63.450 - 1.850
R-factor	0.18699
Rwork	0.184
R-free	0.23879
RMSD bond length	0.011
RMSD bond angle	1.594
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.450	1.900
High resolution limit [Å]	1.850	1.850
Number of reflections	23995
<I/σ(I)>	8.17
Completeness [%]	98.3
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	50 mM MgCl2, 22.5% PEG 3350 and 0.1 M HEPES pH 7.5